Geometry & MOs

Info

ID:	277684
PubChem CID:	103830355
Reduced:	BrNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	352.98182
ΔH_f, kcal/mol:	-70.32
Dipole, Da:	4.23
IP(EA), eV:	-9.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Br)O

DOS

IR

Vibrations